10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:347
Name:Diuron
Description:
Labels:training, Phenylureas_and_methylureas
CAS:330-54-1
InChi Code:InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.21

experimental value

2.51

Eq1: Linear correlation with logP (Training set)

2.41

Eq2: Non-linear regression model (Training set)

2.41

Eq3: Non-linear regression model with correction factors (Training set)

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